Structure 4128888

4128887 << 4128888 >> 4128889
Original COD entry Download CIF Download DOT

Citation: Mon, Marta; Bruno, Rosaria; Tiburcio, Estefania; Viciano-Chumillas, Marta; Kalinke, Lucas H. G.; Ferrando-Soria, Jes\'us; Armentano, Donatella; Pardo, Emilio (2019). Multivariate Metal-Organic Frameworks for the Simultaneous Capture of Organic and Inorganic Contaminants from Water.. Journal of the American Chemical Society, 141, pp. 13601-13609.

Formula: C42 H70 Ca Cl3 Cu6 Hg N7 O30 S4

Cell parameters:

  • a = 17.969(4) Å
  • b = 17.969(4) Å
  • c = 12.949(4) Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: interleaving

List: 1-3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: C60 H42 Cl12 Cu12 Hg6 N12 O48 S6 (C10 H7 Cl2 Cu2 Hg N2 O8 S)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;0;1)

Dimensionality: 1

Formula: C72 N6 S6 (C12 N S)

Multiplicity: 3

Coordination sequences:

  • 2, 3, 6, 4, 5, 5, 4, 4, 5, 4
  • 2, 4, 6, 6, 4, 4, 4, 4, 4, 7
  • 2, 4, 7, 6, 4, 5, 4, 4, 6, 5
  • 2, 5, 4, 4, 4, 5, 5, 5, 4, 4
  • 2, 5, 5, 5, 6, 5, 4, 5, 4, 5
  • 3, 4, 5, 5, 5, 4, 4, 4, 6, 4
  • 3, 4, 5, 6, 6, 4, 4, 4, 5, 6
  • 3, 5, 5, 4, 4, 5, 4, 5, 4, 5
  • 3, 5, 5, 4, 5, 4, 4, 4, 5, 4
  • 3, 6, 5, 4, 5, 4, 5, 6, 4, 4
  • 4, 4, 5, 4, 4, 4, 6, 4, 5, 4
  • 4, 4, 5, 4, 4, 6, 6, 4, 5, 4
  • 4, 5, 5, 4, 4, 5, 6, 5, 4, 4
  • 5, 4, 4, 4, 4, 4, 6, 4, 5, 4
span 1 {1 1 1}